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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,3-dimethyl-butanamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,3-dimethyl-butanamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3,3-dimethylbutanamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,3-dimethylbutanamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,3-dimethyl-butyramide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)16-24(29)26-17-21(19-9-10-22-23(15-19)31-18-30-22)28-13-11-27(12-14-28)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-18H2,1-3H3,(H,26,29)/p+1/t21-/m1/s1