(3S)-N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-ethyl-2-pyridyl)methyl]-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[(5-ethyl-2-pyridyl)methyl]-6-keto-N-methyl-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CN(C)C(=O)C2CCC(=O)N(C2)CC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CN=C(C=C1)CN(C)C(=O)[C@H]2CCC(=O)N(C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C21H32N4O3/c1-3-17-4-6-19(22-14-17)16-23(2)21(27)18-5-7-20(26)25(15-18)9-8-24-10-12-28-13-11-24/h4,6,14,18H,3,5,7-13,15-16H2,1-2H3/p+1/t18-/m0/s1