[(3R)-3-(azepan-1-yl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3R)-3-(azepan-1-yl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-3-(azepan-1-yl)-1-benzyl-pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-3-(1-azepanyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3R)-3-(azepan-1-yl)-1-benzylpyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-3-(azepan-1-yl)-1-benzyl-pyrrolidin-1-ium-3-yl]methylammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2(CC[NH+](C2)CC3=CC=CC=C3)C[NH3+]

Isomeric SMILES

C1CCCN(CC1)[C@]2(CC[NH+](C2)CC3=CC=CC=C3)C[NH3+]

InChI

InChI=1S/C18H29N3/c19-15-18(21-11-6-1-2-7-12-21)10-13-20(16-18)14-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16,19H2/p+2/t18-/m1/s1