2-azanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide

Systemtic Name: 2-azanyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Formula: C19H26N4O+2 MolecularWeight: 326.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC(=[NH+]C=C3)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC(=[NH+]C=C3)N

InChI

InChI=1S/C19H24N4O/c20-18-13-16(8-10-21-18)19(24)22-17-7-4-11-23(14-17)12-9-15-5-2-1-3-6-15/h1-3,5-6,8,10,13,17H,4,7,9,11-12,14H2,(H2,20,21)(H,22,24)/p+2/t17-/m0/s1