N-[[(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)oxan-4-yl]methyl]-4-methyl-aniline

Systemtic Name: N-[[(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)oxan-4-yl]methyl]-4-methyl-aniline Openeye Name: N-[[(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)tetrahydropyran-4-yl]methyl]-4-methyl-aniline CAS Name: N-[[(4S)-2,2-dimethyl-4-(1-pyrrolidin-1-iumylmethyl)-4-oxanyl]methyl]-4-methylaniline IUPAC Name: N-[[(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)oxan-4-yl]methyl]-4-methylaniline Traditional Name: [(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)tetrahydropyran-4-yl]methyl-(p-tolyl)amine Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2(CCOC(C2)(C)C)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC[C@@]2(CCOC(C2)(C)C)C[NH+]3CCCC3

InChI

InChI=1S/C20H32N2O/c1-17-6-8-18(9-7-17)21-15-20(16-22-11-4-5-12-22)10-13-23-19(2,3)14-20/h6-9,21H,4-5,10-16H2,1-3H3/p+1/t20-/m0/s1