[(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-naphthalen-2-yl-ethyl]azanium

Systemtic Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-naphthalen-2-yl-ethyl]azanium Openeye Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(2-naphthyl)ethyl]ammonium CAS Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(2-naphthalenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-naphthalen-2-ylethyl]azanium Traditional Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(2-naphthyl)ethyl]ammonium Formula: C18H27N3+2 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC(C2=CC3=CC=CC=C3C=C2)[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C[C@H](C2=CC3=CC=CC=C3C=C2)[NH3+]

InChI

InChI=1S/C18H25N3/c1-20-9-4-10-21(12-11-20)14-18(19)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,13,18H,4,9-12,14,19H2,1H3/p+2/t18-/m1/s1