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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methyl-butanamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methyl-butanamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-methylbutanamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methylbutanamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-methyl-butyramide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-18(2)14-24(28)25-16-21(19-8-9-22-23(15-19)30-17-29-22)27-12-10-26(11-13-27)20-6-4-3-5-7-20/h3-9,15,18,21H,10-14,16-17H2,1-2H3,(H,25,28)/p+1/t21-/m1/s1