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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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