N-(1,3-benzodioxol-5-yl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

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