4-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]aniline

Systemtic Name: 4-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]aniline Openeye Name: 4-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]aniline CAS Name: 4-[(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]aniline IUPAC Name: 4-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]aniline Traditional Name: [4-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]phenyl]amine Formula: C19H32N3+ MolecularWeight: 302.47748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC2CCCCN2C3=CC=C(C=C3)N

Isomeric SMILES

C1CCC[NH+](CC1)CC[C@@H]2CCCCN2C3=CC=C(C=C3)N

InChI

InChI=1S/C19H31N3/c20-17-8-10-19(11-9-17)22-15-6-3-7-18(22)12-16-21-13-4-1-2-5-14-21/h8-11,18H,1-7,12-16,20H2/p+1/t18-/m0/s1