(3S)-N,N,3-trimethyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

Systemtic Name: (3S)-N,N,3-trimethyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: (3S)-N,N,3-trimethyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: (3S)-N,N,3-trimethyl-5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: (3S)-N,N,3-trimethyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: (3S)-5-keto-N,N,3-trimethyl-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)CC(=O)N(C)C

Isomeric SMILES

C[C@H](CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)CC(=O)N(C)C

InChI

InChI=1S/C17H26N4O2/c1-14(12-16(22)19(2)3)13-17(23)21-10-8-20(9-11-21)15-6-4-5-7-18-15/h4-7,14H,8-13H2,1-3H3/p+1/t14-/m0/s1