(3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Openeye Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide CAS Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Traditional Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ium-1-ylethyl)propionamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CC(C2=C3C(=CC=C2)OCO3)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C[C@H](C2=C3C(=CC=C2)OCO3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H29N3O3/c29-24(26-11-14-28-12-4-1-5-13-28)15-20(19-8-6-10-23-25(19)31-17-30-23)21-16-27-22-9-3-2-7-18(21)22/h2-3,6-10,16,20,27H,1,4-5,11-15,17H2,(H,26,29)/p+1/t20-/m1/s1