N-(1,3-benzodioxol-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[(1R)-1-methyl-3-phenyl-propyl]-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[(1R)-1-methyl-3-phenyl-propyl]-3-piperidin-1-ium-1-yl-propionamide Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N(CC2=C3C(=CC=C2)OCO3)C(=O)CC[NH+]4CCCCC4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N(CC2=C3C(=CC=C2)OCO3)C(=O)CC[NH+]4CCCCC4

InChI

InChI=1S/C26H34N2O3/c1-21(13-14-22-9-4-2-5-10-22)28(25(29)15-18-27-16-6-3-7-17-27)19-23-11-8-12-24-26(23)31-20-30-24/h2,4-5,8-12,21H,3,6-7,13-20H2,1H3/p+1/t21-/m1/s1