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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclopropanecarboxamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclopropanecarboxamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]cyclopropanecarboxamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclopropanecarboxamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]cyclopropanecarboxamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N3O3/c27-23(17-6-7-17)24-15-20(18-8-9-21-22(14-18)29-16-28-21)26-12-10-25(11-13-26)19-4-2-1-3-5-19/h1-5,8-9,14,17,20H,6-7,10-13,15-16H2,(H,24,27)/p+1/t20-/m1/s1