N,N-diethyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]aniline

Systemtic Name: N,N-diethyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]aniline Openeye Name: N,N-diethyl-4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]aniline CAS Name: N,N-diethyl-4-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]aniline IUPAC Name: N,N-diethyl-4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]aniline Traditional Name: diethyl-[4-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]amine Formula: C21H30N3+ MolecularWeight: 324.483

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C21H29N3/c1-3-23(4-2)20-12-10-18(11-13-20)17-24-15-6-5-9-21(24)19-8-7-14-22-16-19/h7-8,10-14,16,21H,3-6,9,15,17H2,1-2H3/p+1/t21-/m0/s1