(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)CN3CCCC(C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)CN3CCC[C@@H](C3)[NH+]4CCCC4

InChI

InChI=1S/C20H28N2O2/c1-23-19-8-4-6-17-12-16(15-24-20(17)19)13-21-9-5-7-18(14-21)22-10-2-3-11-22/h4,6,8,12,18H,2-3,5,7,9-11,13-15H2,1H3/p+1/t18-/m0/s1