2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline

Systemtic Name: 2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline Openeye Name: 2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline CAS Name: 2-methyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]aniline IUPAC Name: 2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline Traditional Name: [2-methyl-3-[(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=CC=C1N)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1N)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

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