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

Systemtic Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: 2-methyl-N-[(1S)-2-methyl-1-(4-p-anisylpiperazin-4-ium-1-carbonyl)propyl]benzamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33N3O3/c1-18(2)23(26-24(29)22-8-6-5-7-19(22)3)25(30)28-15-13-27(14-16-28)17-20-9-11-21(31-4)12-10-20/h5-12,18,23H,13-17H2,1-4H3,(H,26,29)/p+1/t23-/m0/s1