N-[3-[1-(aminocarbonylamino)-4-(diphenylmethyl)piperazin-1-ium-1-yl]-4-methyl-phenyl]propanamide

Systemtic Name: N-[3-[1-(aminocarbonylamino)-4-(diphenylmethyl)piperazin-1-ium-1-yl]-4-methyl-phenyl]propanamide Openeye Name: N-[3-(4-benzhydryl-1-ureido-piperazin-1-ium-1-yl)-4-methyl-phenyl]propanamide CAS Name: N-[3-[1-(carbamoylamino)-4-(diphenylmethyl)-1-piperazin-1-iumyl]-4-methylphenyl]propanamide IUPAC Name: N-[3-[4-benzhydryl-1-(carbamoylamino)piperazin-1-ium-1-yl]-4-methylphenyl]propanamide Traditional Name: N-[3-(4-benzhydryl-1-ureido-piperazin-1-ium-1-yl)-4-methyl-phenyl]propionamide Formula: C28H34N5O2+ MolecularWeight: 472.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)[N+]2(CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)N

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)[N+]2(CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C28H33N5O2/c1-3-26(34)30-24-15-14-21(2)25(20-24)33(31-28(29)35)18-16-32(17-19-33)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,27H,3,16-19H2,1-2H3,(H3-,29,30,31,34,35)/p+1