N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-benzamide Openeye Name: N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-4-chloro-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-(4-piperonylpiperazin-4-ium-1-carbonyl)propyl]benzamide Formula: C24H29ClN3O4+ MolecularWeight: 458.95776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN3O4/c1-16(2)22(26-23(29)18-4-6-19(25)7-5-18)24(30)28-11-9-27(10-12-28)14-17-3-8-20-21(13-17)32-15-31-20/h3-8,13,16,22H,9-12,14-15H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1