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(4-cyanophenyl)methyl-cyclohexyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
(4-cyanophenyl)methyl-cyclohexyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=C(C=C3)C#N)C4CCCCC4
Isomeric SMILES
CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=C(C=C3)C#N)C4CCCCC4
InChI
InChI=1S/C27H31N3/c1-22-7-5-8-25(17-22)20-29-16-6-11-27(29)21-30(26-9-3-2-4-10-26)19-24-14-12-23(18-28)13-15-24/h5-8,11-17,26H,2-4,9-10,19-21H2,1H3/p+1
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