N,N-diethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline

Systemtic Name: N,N-diethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline Openeye Name: N,N-diethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline CAS Name: N,N-diethyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]aniline IUPAC Name: N,N-diethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]aniline Traditional Name: diethyl-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]amine Formula: C21H30N3+ MolecularWeight: 324.483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3/c1-3-23(4-2)21-12-10-19(11-13-21)18-22-14-16-24(17-15-22)20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3/p+1