N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-methyl-propanamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-methyl-propanamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-methyl-propanamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-methylpropanamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-methylpropanamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-methyl-propionamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC(C1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC[C@H](C1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c1-17(2)23(27)24-15-20(18-8-9-21-22(14-18)29-16-28-21)26-12-10-25(11-13-26)19-6-4-3-5-7-19/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H,24,27)/p+1/t20-/m1/s1