N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-[(1-methyl-2-indolyl)methyl]-N-(3-phenylpropyl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-[(1-methylindol-2-yl)methyl]-N-(3-phenylpropyl)-3-piperidin-1-ium-1-yl-propionamide Formula: C27H36N3O+ MolecularWeight: 418.59424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1CN(CCCC3=CC=CC=C3)C(=O)CC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C=C1CN(CCCC3=CC=CC=C3)C(=O)CC[NH+]4CCCCC4

InChI

InChI=1S/C27H35N3O/c1-28-25(21-24-14-6-7-15-26(24)28)22-30(19-10-13-23-11-4-2-5-12-23)27(31)16-20-29-17-8-3-9-18-29/h2,4-7,11-12,14-15,21H,3,8-10,13,16-20,22H2,1H3/p+1