N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(2-phenylethanoylamino)propanamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(2-phenylethanoylamino)propanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-[(2-phenylacetyl)amino]propionamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCNC(=O)CC3=CC=CC=C3

InChI

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