(1S,2R)-2-phenyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]cyclopropane-1-carboxamide

Systemtic Name: (1S,2R)-2-phenyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]cyclopropane-1-carboxamide Openeye Name: (1S,2R)-2-phenyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]cyclopropanecarboxamide CAS Name: (1S,2R)-2-phenyl-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-1-cyclopropanecarboxamide IUPAC Name: (1S,2R)-2-phenyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]cyclopropane-1-carboxamide Traditional Name: (1S,2R)-2-phenyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]cyclopropanecarboxamide Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)C2CC2C3=CC=CC=C3)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)[C@H]2C[C@H]2C3=CC=CC=C3)CC1

InChI

InChI=1S/C18H25N3O/c1-2-10-21-11-8-15(9-12-21)19-20-18(22)17-13-16(17)14-6-4-3-5-7-14/h3-7,16-17H,2,8-13H2,1H3,(H,20,22)/p+1/t16-,17-/m0/s1