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

Systemtic Name: 2-azanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)C3=CC(=[NH+]C=C3)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)C3=CC(=[NH+]C=C3)N

InChI

InChI=1S/C20H26N4O/c21-19-14-17(10-11-22-19)20(25)23-18-9-5-13-24(15-18)12-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15H2,(H2,21,22)(H,23,25)/p+2/t18-/m0/s1