N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(phenylcarbamoylamino)propanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(phenylcarbamoylamino)propanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(phenylcarbamoylamino)propanamide CAS Name: 3-[[anilino(oxo)methyl]amino]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(phenylcarbamoylamino)propanamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(phenylcarbamoylamino)propionamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-25-13-15-26(16-14-25)19-9-7-18(8-10-19)23-20(27)11-12-22-21(28)24-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,27)(H2,22,24,28)/p+1