N-phenethyl-1-propan-2-yl-piperidin-1-ium-4-amine

Systemtic Name: N-phenethyl-1-propan-2-yl-piperidin-1-ium-4-amine Openeye Name: 1-isopropyl-N-phenethyl-piperidin-1-ium-4-amine CAS Name: N-phenethyl-1-propan-2-yl-4-piperidin-1-iumamine IUPAC Name: N-phenethyl-1-propan-2-ylpiperidin-1-ium-4-amine Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-phenethyl-amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-14(2)18-12-9-16(10-13-18)17-11-8-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3/p+1