(3S)-N-(3-imidazol-1-ylpropyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3-imidazol-1-ylpropyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-(3-imidazol-1-ylpropyl)pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[3-(1-imidazolyl)propyl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-(3-imidazol-1-ylpropyl)pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(3-imidazol-1-ylpropyl)amine Formula: C17H25N4+ MolecularWeight: 285.4072

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NCCCN2C=CN=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NCCCN2C=CN=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H24N4/c1-2-5-16(6-3-1)13-21-11-7-17(14-21)19-8-4-10-20-12-9-18-15-20/h1-3,5-6,9,12,15,17,19H,4,7-8,10-11,13-14H2/p+1/t17-/m0/s1