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

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-methylbenzamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methylbenzamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-methyl-benzamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3/c1-20-7-9-21(10-8-20)27(31)28-18-24(22-11-12-25-26(17-22)33-19-32-25)30-15-13-29(14-16-30)23-5-3-2-4-6-23/h2-12,17,24H,13-16,18-19H2,1H3,(H,28,31)/p+1/t24-/m0/s1