5-(4-methylpiperazin-4-ium-1-yl)-2-[(3S)-3-methylpiperidin-1-yl]aniline

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(3S)-3-methylpiperidin-1-yl]aniline Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(3S)-3-methyl-1-piperidyl]aniline CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-[(3S)-3-methyl-1-piperidinyl]aniline IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[(3S)-3-methylpiperidin-1-yl]aniline Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)-2-[(3S)-3-methylpiperidino]phenyl]amine Formula: C17H29N4+ MolecularWeight: 289.43896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)N3CC[NH+](CC3)C)N

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)N3CC[NH+](CC3)C)N

InChI

InChI=1S/C17H28N4/c1-14-4-3-7-21(13-14)17-6-5-15(12-16(17)18)20-10-8-19(2)9-11-20/h5-6,12,14H,3-4,7-11,13,18H2,1-2H3/p+1/t14-/m0/s1