(3S)-N-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidin-1-ium-3-amine Traditional Name: 1H-imidazol-5-ylmethyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amine Formula: C18H27N4+ MolecularWeight: 299.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NCC3=CN=CN3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NCC3=CN=CN3

InChI

InChI=1S/C18H26N4/c1-2-6-16(7-3-1)8-4-10-22-11-5-9-17(14-22)20-13-18-12-19-15-21-18/h1-3,6-7,12,15,17,20H,4-5,8-11,13-14H2,(H,19,21)/p+1/t17-/m0/s1