(3S)-1-(1-ethylpiperidin-4-yl)-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(1-ethylpiperidin-4-yl)-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(1-ethyl-4-piperidyl)-N-(4-isopropylphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(1-ethyl-4-piperidinyl)-N-(4-propan-2-ylphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(1-ethylpiperidin-4-yl)-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(1-ethyl-4-piperidyl)piperidin-1-ium-3-yl]-p-cumenyl-amine Formula: C21H36N3+ MolecularWeight: 330.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)[NH+]2CCCC(C2)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCN1CCC(CC1)[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H35N3/c1-4-23-14-11-21(12-15-23)24-13-5-6-20(16-24)22-19-9-7-18(8-10-19)17(2)3/h7-10,17,20-22H,4-6,11-16H2,1-3H3/p+1/t20-/m0/s1