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

Systemtic Name: N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)butyl]benzamide CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]pentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)butyl]benzamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-3-17(2)20(24-21(27)18-7-5-4-6-8-18)22(28)26-15-13-25(14-16-26)19-9-11-23-12-10-19/h4-12,17,20H,3,13-16H2,1-2H3,(H,24,27)/p+1/t17-,20-/m0/s1