2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline

Systemtic Name: 2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline Openeye Name: 2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline CAS Name: 2-methyl-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]aniline IUPAC Name: 2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline Traditional Name: [2-methyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]amine Formula: C18H24N3+ MolecularWeight: 282.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)N

InChI

InChI=1S/C18H23N3/c1-15-7-8-16(13-18(15)19)14-20-9-11-21(12-10-20)17-5-3-2-4-6-17/h2-8,13H,9-12,14,19H2,1H3/p+1