N-[(2S)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide Formula: C25H39N4O3+ MolecularWeight: 443.60216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C25H38N4O3/c1-19(2)23(26-24(31)21-11-7-6-10-20(21)3)25(32)29-16-14-27(15-17-29)18-22(30)28-12-8-4-5-9-13-28/h6-7,10-11,19,23H,4-5,8-9,12-18H2,1-3H3,(H,26,31)/p+1/t23-/m0/s1