2-[(2S)-2-ethylpiperidin-1-yl]-5-(4-methylpiperazin-4-ium-1-yl)aniline

Systemtic Name: 2-[(2S)-2-ethylpiperidin-1-yl]-5-(4-methylpiperazin-4-ium-1-yl)aniline Openeye Name: 2-[(2S)-2-ethyl-1-piperidyl]-5-(4-methylpiperazin-4-ium-1-yl)aniline CAS Name: 2-[(2S)-2-ethyl-1-piperidinyl]-5-(4-methyl-1-piperazin-4-iumyl)aniline IUPAC Name: 2-[(2S)-2-ethylpiperidin-1-yl]-5-(4-methylpiperazin-4-ium-1-yl)aniline Traditional Name: [2-[(2S)-2-ethylpiperidino]-5-(4-methylpiperazin-4-ium-1-yl)phenyl]amine Formula: C18H31N4+ MolecularWeight: 303.46554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C=C(C=C2)N3CC[NH+](CC3)C)N

Isomeric SMILES

CC[C@H]1CCCCN1C2=C(C=C(C=C2)N3CC[NH+](CC3)C)N

InChI

InChI=1S/C18H30N4/c1-3-15-6-4-5-9-22(15)18-8-7-16(14-17(18)19)21-12-10-20(2)11-13-21/h7-8,14-15H,3-6,9-13,19H2,1-2H3/p+1/t15-/m0/s1