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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-4-19(2)23(26-24(29)21-8-6-5-7-9-21)25(30)28-16-14-27(15-17-28)18-20-10-12-22(31-3)13-11-20/h5-13,19,23H,4,14-18H2,1-3H3,(H,26,29)/p+1/t19-,23-/m0/s1