1-(4-isocyanatooxypiperidin-1-yl)-N,2-dimethyl-1-(6-naphthalen-2-ylhexoxy)-N,6-bis(prop-2-enyl)piperidin-1-ium-4-amine

Systemtic Name: 1-(4-isocyanatooxypiperidin-1-yl)-N,2-dimethyl-1-(6-naphthalen-2-ylhexoxy)-N,6-bis(prop-2-enyl)piperidin-1-ium-4-amine Openeye Name: N,2-diallyl-1-(4-isocyanatooxy-1-piperidyl)-N,6-dimethyl-1-[6-(2-naphthyl)hexoxy]piperidin-1-ium-4-amine CAS Name: 1-(4-isocyanatooxy-1-piperidinyl)-N,2-dimethyl-1-[6-(2-naphthalenyl)hexoxy]-N,6-bis(prop-2-enyl)-4-piperidin-1-iumamine IUPAC Name: 1-(4-isocyanatooxypiperidin-1-yl)-N,2-dimethyl-1-(6-naphthalen-2-ylhexoxy)-N,6-bis(prop-2-enyl)piperidin-1-ium-4-amine Traditional Name: allyl-[2-allyl-1-(4-isocyanatooxypiperidino)-6-methyl-1-[6-(2-naphthyl)hexoxy]piperidin-1-ium-4-yl]-methyl-amine Formula: C35H51N4O3+ MolecularWeight: 575.80444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC([N+]1(N2CCC(CC2)ON=C=O)OCCCCCCC3=CC4=CC=CC=C4C=C3)CC=C)N(C)CC=C

Isomeric SMILES

CC1CC(CC([N+]1(N2CCC(CC2)ON=C=O)OCCCCCCC3=CC4=CC=CC=C4C=C3)CC=C)N(C)CC=C

InChI

InChI=1S/C35H51N4O3/c1-5-13-34-27-33(37(4)21-6-2)25-29(3)39(34,38-22-19-35(20-23-38)42-36-28-40)41-24-12-8-7-9-14-30-17-18-31-15-10-11-16-32(31)26-30/h5-6,10-11,15-18,26,29,33-35H,1-2,7-9,12-14,19-25,27H2,3-4H3/q+1