(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-pyrrolidino-piperidin-1-ium Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCCC(C3)N4CCCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC[C@@H](C3)N4CCCC4

InChI

InChI=1S/C18H26N2O3/c1-21-16-9-14(10-17-18(16)23-13-22-17)11-19-6-4-5-15(12-19)20-7-2-3-8-20/h9-10,15H,2-8,11-13H2,1H3/p+1/t15-/m0/s1